N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane

C13H23NOS — CID 142924811

IUPACN-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane
SMILESC.CCN(c1ccc(C(C)C)cc1)S(C)=O
InChIInChI=1S/C12H19NOS.CH4/c1-5-13(15(4)14)12-8-6-11(7-9-12)10(2)3;/h6-10H,5H2,1-4H3;1H4
InChIKeyBNHQHJCJNIHKFT-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.57
Rot. Bonds4

About N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane

N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane (PubChem CID 142924811) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane.

Molecular Properties

Compound NameN-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane
PubChem CID142924811
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane
SMILESC.CCN(c1ccc(C(C)C)cc1)S(C)=O
InChIInChI=1S/C12H19NOS.CH4/c1-5-13(15(4)14)12-8-6-11(7-9-12)10(2)3;/h6-10H,5H2,1-4H3;1H4
InChIKeyBNHQHJCJNIHKFT-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
CID 161251887
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
2-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 133150282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane?
The IUPAC name of N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane (CID 142924811) is N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane.
What is the SMILES notation for N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane?
The canonical SMILES for N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane is C.CCN(c1ccc(C(C)C)cc1)S(C)=O.
What is the InChIKey of N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane?
The InChIKey is BNHQHJCJNIHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS.CH4/c1-5-13(15(4)14)12-8-6-11(7-9-12)10(2)3;/h6-10H,5H2,1-4H3;1H4.
What are the key properties of N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane?
N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane has a molecular weight of 241.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane is sourced from PubChem (CID 142924811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).